Dataset

Acetochlor-OXA; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU202901 contains the MS2 mass spectrum of Acetochlor-OXA with the InChIkey OTKTUNJJKYTOFF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO4/c1-4-11-8-6-7-10(3)12(11)15(9-19-5-2)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
SMILES CCOCN(C(=O)C(O)=O)C1=C(C)C=CC=C1CC
InChI Key OTKTUNJJKYTOFF-UHFFFAOYSA-N
Molecular Formula C14H19NO4
Exact Mass 265.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU202901
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MetadataPublished 2015-12-10
Related Molecule
  • 2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83451 chebi
    29400970 surechembl
    15842091 pubchem
    WG499WTE12 fdasrs
    Molport-019-904-118 molport
    The data in this table is sourced from UniChem at EBI.